Geometry & MOs

Info

ID:	121813
PubChem CID:	50782399
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	4.08
IP(EA), eV:	-8.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations